Employing two fully relativistic methods,the multi-reference configuration Dirac-Hartree-Fock(MCDHF)methodand the relativistic many-body perturbation theory(RMBPT)method,we report energies and lifetime values for the ...Employing two fully relativistic methods,the multi-reference configuration Dirac-Hartree-Fock(MCDHF)methodand the relativistic many-body perturbation theory(RMBPT)method,we report energies and lifetime values for the lowest35 energy levels of the(1s^(2))nl configurations(where the principal quantum number n=2-6 and the angular quantum numberl=0,...,n-1)of lithium-like germanium(Ge XXX),as well as complete data on the transition wavelengths,radiativerates,absorption oscillator strengths,and line strengths between the levels.Both the allowed(E1)and forbidden(magneticdipole M1,magnetic quadrupole M2,and electric quadrupole E2)ones are reported.The results from the two methodsare consistent with each other and align well with previous accurate experimental and theoretical findings.We assess theoverall accuracies of present RMBPT results to be likely the most precise ones to date.The present fully relativistic resultsshould be helpful for soft x-ray laser research,spectral line identification,plasma modeling and diagnosing.The datasetspresented in this paper are openly available at https://doi.org/10.57760/sciencedb.j00113.00135.展开更多
Based on ab initio calculations,we utilize the mean-field potential approach with the quantum modification in conjunction with stress–strain relation to investigate the elastic anisotropies and sound velocities of hc...Based on ab initio calculations,we utilize the mean-field potential approach with the quantum modification in conjunction with stress–strain relation to investigate the elastic anisotropies and sound velocities of hcp and bcc Be under high-temperature(0–6000 K)and high-pressure(0–500 GPa)conditions.We propose a general definition of anisotropy for elastic moduli and sound velocities.Results suggest that the elastic anisotropy of Be is more significantly influenced by pressure than by temperature.The pressure-induced increase of c/a ratio makes the anisotropy of hcp Be significantly strengthen.Nevertheless,the hcp Be still exhibits smaller anisotropy than bcc Be in terms of elastic moduli and sound velocities.We suggest that measuring the anisotropy in shear sound velocity may be an approach to distinguishing the hcp–bcc phase transition under extreme conditions.展开更多
Based on the unified Hauser–Feshbach and exciton model,which can describe the particle emission processes between discrete energy levels with energy,angular momentum,and parity conservations,a statistical theory of l...Based on the unified Hauser–Feshbach and exciton model,which can describe the particle emission processes between discrete energy levels with energy,angular momentum,and parity conservations,a statistical theory of light nucleus reaction(STLN)is developed to calculate the double-differential cross-sections of the outgoing neutron and light charged particles for the proton-induced^(6) Li reaction.A significant difference is observed between the p+^(6) Li and p+^(7) Li reactions owing to the discrepancies in the energy-level structures of the targets.The reaction channels,including sequential and simultaneous emission processes,are analyzed in detail.Taking the double-differential cross-sections of the outgoing proton as an example,the influence of contaminations(such as^(1) H,^(7)Li,^(12)C,and^(16)O)on the target is identified in terms of the kinetic energy of the first emitted particles.The optical potential parameters of the proton are obtained by fitting the elastic scattering differential cross-sections.The calculated total double-differential cross-sections of the outgoing proton and deuteron at E_(p)=14 MeV agree well with the experimental data for different outgoing angles.Simultaneously,the mixed double differential cross-sections of^(3) He andαare in good agreement with the measurements.The agreement between the measured data and calculated results indicates that the two-body and three-body breakup reactions need to be considered,and the pre-equilibrium reaction mechanism dominates the reaction processes.Based on the STLN model,a PLUNF code for the p+^(6) Li reaction is developed to obtain an ENDF-6-formatted file of the double-differential cross-sections of the nucleon and light composite charged particles.展开更多
The interaction between shock waves and multiple cylinders,referred to as shock–cylinder interaction(SCI),is an important phenomenon in science and engineering.However,its underlying physical mechanisms remain unclea...The interaction between shock waves and multiple cylinders,referred to as shock–cylinder interaction(SCI),is an important phenomenon in science and engineering.However,its underlying physical mechanisms remain unclear.This study entailed the numerical simulation of the aerobreakup of two tandem water columns subjected to a high-speed gas flow by using an adaptive mesh refinement(AMR)-based diffusion-interface model.The objective was to elucidate the changes in water–column deformation patterns over a wide range of Weber numbers.Statistical analysis was performed to examine the deformation of the water columns in vertical directions.Results reveal distinct deformation patterns between the two columns as the Weber number increases.Additionally,an extended exponential stretching law model was devised,and its improved capability to predict the deformation patterns was demonstrated.展开更多
The SiS molecule,which plays a significant role in space,has attracted a great deal of attention for many years.Due to complex interactions among its low-lying electronic states,precise information regarding the molec...The SiS molecule,which plays a significant role in space,has attracted a great deal of attention for many years.Due to complex interactions among its low-lying electronic states,precise information regarding the molecular structure of SiS is limited.To obtain accurate information about the structure of its excited states,the high-precision multireference configuration interaction(MRCI)method has been utilized.This method is used to calculate the potential energy curves(PECs)of the 18Λ–S states corresponding to the lowest dissociation limit of SiS.The core–valence correlation effect,Davidson’s correction and the scalar relativistic effect are also included to guarantee the precision of the MRCI calculation.Based on the calculated PECs,the spectroscopic constants of quasi-bound and bound electronic states are calculated and they are in accordance with previous experimental results.The transition dipole moments(TDMs)and dipole moments(DMs)are determined by the MRCI method.In addition,the abrupt variations of the DMs for the 1^(5)Σ^(+)and 2^(5)Σ^(+)states at the avoided crossing point are attributed to the variation of the electronic configuration.The opacity of SiS at a pressure of 100 atms is presented across a series of temperatures.With increasing temperature,the expanding population of excited states blurs the band boundaries.展开更多
The generalized oscillator strengths of the dipole-forbidden excitations of the ^(1)A_(2) of H_(2)O and D_(2)O were calculated with the time dependent density functional theory,by taking into account the vibronic effe...The generalized oscillator strengths of the dipole-forbidden excitations of the ^(1)A_(2) of H_(2)O and D_(2)O were calculated with the time dependent density functional theory,by taking into account the vibronic effect.It is found that the vibronic effect converts the dipole-forbidden excitation of the ^(1)A_(2) into a dipole-allowed one,which enhances the intensities of the corresponding generalized oscillator strength in the small squared momentum transfer region.The present investigation shows that the vibronic effect of H_(2)O is slightly stronger than that of D_(2)O,which exhibits a clear isotopic effect.展开更多
A novel scheme to suppress both stimulated Brillouin scattering(SBS) and stimulated Raman scattering(SRS) by combining an alternating frequency(AF) laser and a transverse magnetic field is proposed. The AF laser allow...A novel scheme to suppress both stimulated Brillouin scattering(SBS) and stimulated Raman scattering(SRS) by combining an alternating frequency(AF) laser and a transverse magnetic field is proposed. The AF laser allows the laser frequency to change discretely and alternately over time. The suppression of SBS is significant as long as the AF difference is greater than the linear growth rate of SBS or the alternating time of the laser frequency is shorter than the linear growth time of SBS. However, the AF laser proves ineffective in suppressing SRS, which usually has a much higher linear growth rate than SBS. To remedy that, a transverse magnetic field is included to suppress the SRS instability. The electrons trapped in the electron plasma waves(EPWs) of SRS can be accelerated by the surfatron mechanism in a transverse magnetic field and eventually detrapped. While continuously extracting energy from EPWs, the EPWs are dissipated and the kinetic inflation of SRS is suppressed. The one-dimensional particle-in-cell simulation results show that both SBS and SRS can be effectively suppressed by combining the AF laser with a transverse magnetic field with tens of Tesla. The total reflectivity can be dramatically reduced by more than one order of magnitude. These results provide a potential reference for controlling SBS and SRS under the related parameters of inertial confinement fusion.展开更多
Hydride precipitation in zirconium cladding materials can damage their integrity and durability.Service temperature and material defects have a significant effect on the dynamic growth of hydrides.In this study,we hav...Hydride precipitation in zirconium cladding materials can damage their integrity and durability.Service temperature and material defects have a significant effect on the dynamic growth of hydrides.In this study,we have developed a phasefield model based on the assumption of elastic behaviour within a specific temperature range(613 K-653 K).This model allows us to study the influence of temperature and interfacial effects on the morphology,stress,and average growth rate of zirconium hydride.The results suggest that changes in temperature and interfacial energy influence the length-to-thickness ratio and average growth rate of the hydride morphology.The ultimate determinant of hydride orientation is the loss of interfacial coherency,primarily induced by interfacial dislocation defects and quantifiable by the mismatch degree q.An escalation in interfacial coherency loss leads to a transition of hydride growth from horizontal to vertical,accompanied by the onset of redirection behaviour.Interestingly,redirection occurs at a critical mismatch level,denoted as qc,and remains unaffected by variations in temperature and interfacial energy.However,this redirection leads to an increase in the maximum stress,which may influence the direction of hydride crack propagation.This research highlights the importance of interfacial coherency and provides valuable insights into the morphology and growth kinetics of hydrides in zirconium alloys.展开更多
An experiment on 100 k J laser facility is performed to study the motive features and radiation properties of plasmas from different areas inside gas-filled cylindrical hohlraums.These hohlraums are designed to posses...An experiment on 100 k J laser facility is performed to study the motive features and radiation properties of plasmas from different areas inside gas-filled cylindrical hohlraums.These hohlraums are designed to possess one open end and one laser entrance hole(LEH)with different diameters,which would or not result in the blocking of the LEH.An x-ray streak camera that is set at 16 degrees with respect to the hohlraum axis is applied to acquire the timeresolved x-ray images from the open end.Based on the images,we can study the evolutions of the wall plasma,corona bubble plasma and LEH plasma simultaneously through an equivalent view field of hohlraum interior.Multi-group flat response x-ray detectors are applied to measure the x-ray fluxes.In order to understand these characteristics,our two-dimensional radiation hydrodynamic code is used to simulate the experimental results.For the accuracy of reproduction,dielectronic recombination and two parameter corrections are applied in our code.Based on the comparison between experiments and simulations,we quantitatively understand the blocking process of LEH and the motion effects of other plasmas.The calibrated code is beneficial to design the gas-filled hohlraum in a nearby parameter space,especially the limit size of LEH.展开更多
Correction to:Nuclear Science and Techniques(2024)35:61 https://doi.org/10.1007/s41365-024-01421-5 In this article,the figures were wrongly numbered.The Fig.7 and 8 should have been Fig.11 and 12.The Fig.9,10,11,and 1...Correction to:Nuclear Science and Techniques(2024)35:61 https://doi.org/10.1007/s41365-024-01421-5 In this article,the figures were wrongly numbered.The Fig.7 and 8 should have been Fig.11 and 12.The Fig.9,10,11,and 12 should have been 7,8,9 and 10.The original article has been corrected.展开更多
The mathematical model used to describe the detonation multi-physics phenomenon is usually given by highly coupled nonlinear partial differential equations. Numerical simulation and the computer aided engineering (CAE...The mathematical model used to describe the detonation multi-physics phenomenon is usually given by highly coupled nonlinear partial differential equations. Numerical simulation and the computer aided engineering (CAE) technique has become the third pillar of detonation research, along with theory and experiment, due to the detonation phenomenon is difficult to explain by the theoretical analysis, and the cost required to accredit the reliability of detonation products is very high, even some physical experiments of detonation are impossible. The numerical simulation technique can solve these complex problems in the real situation repeatedly and reduce the design cost and time stunningly. But the reliability of numerical simulation software and the serviceability of the computational result seriously hinders the extension, application and the self-restoration of the simulation software, restricts its independently innovational ability. This article deals with the physical modeling, numerical simulation, and software development of detonation in a unified way. Verification and validation and uncertainty quantification (V&V&UQ) is an important approach in ensuring the credibility of the modeling and simulation of detonation. V&V of detonation is based on our independently developed detonation multiphysics software-LAD2D. We propose the verification method based on mathematical theory and program function as well as availability of its program execution. Validation is executed by comparing with the experiment data. At last, we propose the future prospect of numerical simulation software and the CAE technique, and we also pay attention to the research direction of V&V&UQ.展开更多
Recent experiments on the implosions of 15-mm long and 2-μm thick aluminum liners having a diameter of 12.8 mm have been performed on the primary test stand(PTS) facility. The stratified structures are observed as al...Recent experiments on the implosions of 15-mm long and 2-μm thick aluminum liners having a diameter of 12.8 mm have been performed on the primary test stand(PTS) facility. The stratified structures are observed as alternating dark and light transverse stripes in the laser shadowgraph images. These striations perpendicular to the current flow are formed early in the implosion, i.e., at the stage when the bulk of the material mass was almost at rest. A two-dimensional(2 D)magnetohydrodynamics(MHD) code is employed to simulate the behavior of liner dynamics in the early phases. It is found that the striations may be produced by the electrothermal instability(ETI) that results from non-uniform Joule heating due to the characteristic relation between the resistivity and the temperature. In 2 D simulations, the stratified structures can be seen obviously in both density and temperature contours as the liner expands rapidly. By analyzing instability spectrum, the dominant wavelengths of the perturbations are 8.33 μm–20.0 μm, which agree qualitatively with the theoretical predictions.It is also interesting to show that ETI provides a significant seed to the subsequent magneto Rayleigh–Taylor(MRT)instability.展开更多
Montmorillonite is a kind of clay mineral which often causes large deformation in soft-rock tunnel engineering and thus brings about safety problems in practice.To deal with these engineering safety problems,the physi...Montmorillonite is a kind of clay mineral which often causes large deformation in soft-rock tunnel engineering and thus brings about safety problems in practice.To deal with these engineering safety problems,the physical and chemical properties of montmorillonite should be studied from basic viewpoints.We study the atomic and electronic structures of montmorillonite by using density-functional theory within the local-density approximation （LDA）.The results of calculation show that Al-O bond lengths are longer than Si-O bond lengths.It is found that both the valence band maximum （VBM） and the conduction band minimum （CBM） of montmorillonite are at point Г,and the calculated direct band gap of montmorillonite is 5.35 eV. We show that the chemical bonding between cations and oxygen anions in montmorillonite is mainly ionic,accompanied as well by a minor covalent component.It is pointed out that the VBM and CBM of montmorillonite consist of oxygen 2p and cation s states,respectively.Our calculated results help to understand the chemical and physical properties of montmorillonite,and are expected to be a guide for solving the problem of large deformation of soft-rock tunnels.展开更多
In this paper, we prove the existence and uniqueness of the weak solution to the incompressible Navier-Stokes-Landau-Lifshitz equations in two-dimension with finite energy.The main techniques is the Faedo-Galerkin app...In this paper, we prove the existence and uniqueness of the weak solution to the incompressible Navier-Stokes-Landau-Lifshitz equations in two-dimension with finite energy.The main techniques is the Faedo-Galerkin approximation and weak compactness theory.展开更多
The nuclear data of n+^(240;242;244)Pu reactions for incident energy below 200 MeV are calculated and evaluated to meet the requirement in the design of an accelerator-driven subcritical system. The optical model is u...The nuclear data of n+^(240;242;244)Pu reactions for incident energy below 200 MeV are calculated and evaluated to meet the requirement in the design of an accelerator-driven subcritical system. The optical model is used to calculate the total, nonelastic, shape elastic cross sections, shape elastic scattering angular distributions, and transmission coefficients. The distorted-wave Born approximation is applied to calculate the direct inelastic scatterings to the discrete excited states. The nuclear reaction statistical models and fission theory are applied to describe neutron, proton, deuteron, triton, helium-3, alpha and c emissions, and fission consistently. The results thus obtained are compared with experimental data and the evaluated data obtained from ENDF/B-VII.1 and JENDL-4.0.展开更多
The electronic structures and properties of PuO2 and Pu2O3 have been studied according to the first principles by using the all-electron projector-augmented-wave （PAW） method. The local density approximation （LDA）...The electronic structures and properties of PuO2 and Pu2O3 have been studied according to the first principles by using the all-electron projector-augmented-wave （PAW） method. The local density approximation （LDA）＋U and the generalized gradient approximation （GGA）＋U formalisms have been used to account for the strong on-site Coulomb repulsion among the localized Pu 5f electrons. We discuss how the properties of PuO2 and Pu2O3 are affected by choosing the values of U and exchange-correlation potential. Also, the oxidation reaction of Pu2O3, leading to the formation of PuO2, and its dependence on U and exchange-correlation potential have been studied. Our results show that by choosing an appropriate U it is possible to consistently describe structural, electronic, and thermodynamic properties of PuO2 and Pu2O3, which enable the modelling of the redox process involving Pu-based materials.展开更多
A statistical model of dynamic spall damage due to void nucleation and growth is proposed for ductile materials under intense loading, which takes into account inertia, the elastic-plastic effect, and initial void siz...A statistical model of dynamic spall damage due to void nucleation and growth is proposed for ductile materials under intense loading, which takes into account inertia, the elastic-plastic effect, and initial void size. To some extent, void interaction could be accounted for in this approach. Based on this model, the simulation of spall experiments for copper is performed by using the Lagrangian finite element method. The simulation results are in good agreement with experimental data for the free surface velocity profile, stress record behind copper target, final porosity, and void concentrations across the target. The influence of elastic-plastic effect upon the damage evolution is explored. The correlation between the damage evolution and the history of the stress near the spall plane is also analyzed.展开更多
This paper is concerned with the large-time behavior of solutions to the Cauchy problem of a one-dimensional viscous radiative and reactive gas.Based on the elaborate energy estimates,we develop a new approach to deri...This paper is concerned with the large-time behavior of solutions to the Cauchy problem of a one-dimensional viscous radiative and reactive gas.Based on the elaborate energy estimates,we develop a new approach to derive the upper bound of the absolute temperature by avoiding the use of auxiliary functions Z(t)and W(t)introduced by Liao and Zhao[J.Differential Equations,2018,265(5):2076-2120].Our results also improve upon the results obtained in Liao and Zhao[J.Differential Equations,2018,265(5):2076-2120].展开更多
An electron heat transport model is given for studying laser-to-x-ray conversion of inertial confinement fusion.The electron heat flux is derived based on a non-Maxwellian electron distribution,and the behavior of the...An electron heat transport model is given for studying laser-to-x-ray conversion of inertial confinement fusion.The electron heat flux is derived based on a non-Maxwellian electron distribution,and the behavior of the heat flux is discussed.The effect of the non-Maxwellian electron distribution on inverse bremsstrahlung heating rate and electron-ion heat transfer rate are also included in the present model.The simulation results show that the effects of the non-Maxwellian electron distribution on laser absorption efficiency,laser-to-x-ray conversion efficiency and electron temperature in the coronal region are important.展开更多
Mechanical, electronic, and thermodynamic properties of zirconium carbide have been systematically studied using the ab initio calculations. The calculated equilibrium lattice parameter, bulk modulus, and elastic cons...Mechanical, electronic, and thermodynamic properties of zirconium carbide have been systematically studied using the ab initio calculations. The calculated equilibrium lattice parameter, bulk modulus, and elastic constants are all well consistent with the experimental data. The electronic band structure indicates that the mixture of C 2p and Zr 4d and 4p orbitals around the Fermi level makes a large covalent contribution to the chemical bonds between the C and Zr atoms. The Bader charge analysis suggests that there are about 1.71 electrons transferred from each Zr atom to its nearest C atom. Therefore, the Zr-C bond displays a mixed ionic/covalent character. The calculated phonon dispersions of ZrC are stable, coinciding with the experimental measurement. A drastic expansion in the volume of ZrC is seen with increasing temperature, while the bulk modulus decreases linearly. Based on the calculated phonon dispersion curves and within the quasi-harmonic approximation, the temperature dependence of the heat capacities is obtained, which gives a good description compared with the available experimental data.展开更多
基金supported by the Research Foundation for Higher Level Talents of West Anhui University(Grant No.WGKQ2021005).
文摘Employing two fully relativistic methods,the multi-reference configuration Dirac-Hartree-Fock(MCDHF)methodand the relativistic many-body perturbation theory(RMBPT)method,we report energies and lifetime values for the lowest35 energy levels of the(1s^(2))nl configurations(where the principal quantum number n=2-6 and the angular quantum numberl=0,...,n-1)of lithium-like germanium(Ge XXX),as well as complete data on the transition wavelengths,radiativerates,absorption oscillator strengths,and line strengths between the levels.Both the allowed(E1)and forbidden(magneticdipole M1,magnetic quadrupole M2,and electric quadrupole E2)ones are reported.The results from the two methodsare consistent with each other and align well with previous accurate experimental and theoretical findings.We assess theoverall accuracies of present RMBPT results to be likely the most precise ones to date.The present fully relativistic resultsshould be helpful for soft x-ray laser research,spectral line identification,plasma modeling and diagnosing.The datasetspresented in this paper are openly available at https://doi.org/10.57760/sciencedb.j00113.00135.
基金supported by the National Natural Science Foundation of China(Grant Nos.U23A_(2)0537,U2230401,and 52371174)Funding of National Key Laboratory of Computational Physics.
文摘Based on ab initio calculations,we utilize the mean-field potential approach with the quantum modification in conjunction with stress–strain relation to investigate the elastic anisotropies and sound velocities of hcp and bcc Be under high-temperature(0–6000 K)and high-pressure(0–500 GPa)conditions.We propose a general definition of anisotropy for elastic moduli and sound velocities.Results suggest that the elastic anisotropy of Be is more significantly influenced by pressure than by temperature.The pressure-induced increase of c/a ratio makes the anisotropy of hcp Be significantly strengthen.Nevertheless,the hcp Be still exhibits smaller anisotropy than bcc Be in terms of elastic moduli and sound velocities.We suggest that measuring the anisotropy in shear sound velocity may be an approach to distinguishing the hcp–bcc phase transition under extreme conditions.
基金supported by the National Natural Science Foundation of China(No.12065003)the Guangxi Key R&D Project(2023AB07029)+1 种基金the Scientific Research and Technology Development Project of Guilin(20210104-2)the Central Government Guides Local Scientific and Technological Development Funds of China(Guike ZY22096024)。
文摘Based on the unified Hauser–Feshbach and exciton model,which can describe the particle emission processes between discrete energy levels with energy,angular momentum,and parity conservations,a statistical theory of light nucleus reaction(STLN)is developed to calculate the double-differential cross-sections of the outgoing neutron and light charged particles for the proton-induced^(6) Li reaction.A significant difference is observed between the p+^(6) Li and p+^(7) Li reactions owing to the discrepancies in the energy-level structures of the targets.The reaction channels,including sequential and simultaneous emission processes,are analyzed in detail.Taking the double-differential cross-sections of the outgoing proton as an example,the influence of contaminations(such as^(1) H,^(7)Li,^(12)C,and^(16)O)on the target is identified in terms of the kinetic energy of the first emitted particles.The optical potential parameters of the proton are obtained by fitting the elastic scattering differential cross-sections.The calculated total double-differential cross-sections of the outgoing proton and deuteron at E_(p)=14 MeV agree well with the experimental data for different outgoing angles.Simultaneously,the mixed double differential cross-sections of^(3) He andαare in good agreement with the measurements.The agreement between the measured data and calculated results indicates that the two-body and three-body breakup reactions need to be considered,and the pre-equilibrium reaction mechanism dominates the reaction processes.Based on the STLN model,a PLUNF code for the p+^(6) Li reaction is developed to obtain an ENDF-6-formatted file of the double-differential cross-sections of the nucleon and light composite charged particles.
基金supported by the National Natural Science Foundation of China (Grant Nos.12202070 and 11772065)the Foundation of National Key Laboratory of Computational Physics.
文摘The interaction between shock waves and multiple cylinders,referred to as shock–cylinder interaction(SCI),is an important phenomenon in science and engineering.However,its underlying physical mechanisms remain unclear.This study entailed the numerical simulation of the aerobreakup of two tandem water columns subjected to a high-speed gas flow by using an adaptive mesh refinement(AMR)-based diffusion-interface model.The objective was to elucidate the changes in water–column deformation patterns over a wide range of Weber numbers.Statistical analysis was performed to examine the deformation of the water columns in vertical directions.Results reveal distinct deformation patterns between the two columns as the Weber number increases.Additionally,an extended exponential stretching law model was devised,and its improved capability to predict the deformation patterns was demonstrated.
基金Project supported by the Natural Science Foundation of Heilongjiang Province,China(Grant No.LH2022A026)the National Key Research and Development Program of China(Grant No.2022YFA1602500)+2 种基金the National Natural Science Foundation of China(Grant No.11934004)Fundamental Research Funds in Heilongjiang Province Universities,China(Grant No.145109309)Foundation of National Key Laboratory of Computational Physics(Grant No.6142A05QN22006)。
文摘The SiS molecule,which plays a significant role in space,has attracted a great deal of attention for many years.Due to complex interactions among its low-lying electronic states,precise information regarding the molecular structure of SiS is limited.To obtain accurate information about the structure of its excited states,the high-precision multireference configuration interaction(MRCI)method has been utilized.This method is used to calculate the potential energy curves(PECs)of the 18Λ–S states corresponding to the lowest dissociation limit of SiS.The core–valence correlation effect,Davidson’s correction and the scalar relativistic effect are also included to guarantee the precision of the MRCI calculation.Based on the calculated PECs,the spectroscopic constants of quasi-bound and bound electronic states are calculated and they are in accordance with previous experimental results.The transition dipole moments(TDMs)and dipole moments(DMs)are determined by the MRCI method.In addition,the abrupt variations of the DMs for the 1^(5)Σ^(+)and 2^(5)Σ^(+)states at the avoided crossing point are attributed to the variation of the electronic configuration.The opacity of SiS at a pressure of 100 atms is presented across a series of temperatures.With increasing temperature,the expanding population of excited states blurs the band boundaries.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.12334010,12174259,and 11604003)。
文摘The generalized oscillator strengths of the dipole-forbidden excitations of the ^(1)A_(2) of H_(2)O and D_(2)O were calculated with the time dependent density functional theory,by taking into account the vibronic effect.It is found that the vibronic effect converts the dipole-forbidden excitation of the ^(1)A_(2) into a dipole-allowed one,which enhances the intensities of the corresponding generalized oscillator strength in the small squared momentum transfer region.The present investigation shows that the vibronic effect of H_(2)O is slightly stronger than that of D_(2)O,which exhibits a clear isotopic effect.
基金Project supported by the National Natural Science Foundation of China (Grant Nos.11975059 and 12005021)。
文摘A novel scheme to suppress both stimulated Brillouin scattering(SBS) and stimulated Raman scattering(SRS) by combining an alternating frequency(AF) laser and a transverse magnetic field is proposed. The AF laser allows the laser frequency to change discretely and alternately over time. The suppression of SBS is significant as long as the AF difference is greater than the linear growth rate of SBS or the alternating time of the laser frequency is shorter than the linear growth time of SBS. However, the AF laser proves ineffective in suppressing SRS, which usually has a much higher linear growth rate than SBS. To remedy that, a transverse magnetic field is included to suppress the SRS instability. The electrons trapped in the electron plasma waves(EPWs) of SRS can be accelerated by the surfatron mechanism in a transverse magnetic field and eventually detrapped. While continuously extracting energy from EPWs, the EPWs are dissipated and the kinetic inflation of SRS is suppressed. The one-dimensional particle-in-cell simulation results show that both SBS and SRS can be effectively suppressed by combining the AF laser with a transverse magnetic field with tens of Tesla. The total reflectivity can be dramatically reduced by more than one order of magnitude. These results provide a potential reference for controlling SBS and SRS under the related parameters of inertial confinement fusion.
基金Project supported by the National Natural Science Foundation of China (Grant Nos.U2230401,U1930401,and 12004048)the National Key Research and Development Program of China (Grant No.2021YFB3501503)+1 种基金the Science Challenge Project (Grant No.TZ2018002)the Foundation of LCP。
文摘Hydride precipitation in zirconium cladding materials can damage their integrity and durability.Service temperature and material defects have a significant effect on the dynamic growth of hydrides.In this study,we have developed a phasefield model based on the assumption of elastic behaviour within a specific temperature range(613 K-653 K).This model allows us to study the influence of temperature and interfacial effects on the morphology,stress,and average growth rate of zirconium hydride.The results suggest that changes in temperature and interfacial energy influence the length-to-thickness ratio and average growth rate of the hydride morphology.The ultimate determinant of hydride orientation is the loss of interfacial coherency,primarily induced by interfacial dislocation defects and quantifiable by the mismatch degree q.An escalation in interfacial coherency loss leads to a transition of hydride growth from horizontal to vertical,accompanied by the onset of redirection behaviour.Interestingly,redirection occurs at a critical mismatch level,denoted as qc,and remains unaffected by variations in temperature and interfacial energy.However,this redirection leads to an increase in the maximum stress,which may influence the direction of hydride crack propagation.This research highlights the importance of interfacial coherency and provides valuable insights into the morphology and growth kinetics of hydrides in zirconium alloys.
基金supported by National Natural Science Foundation of China(Nos.12075219,12105269 and 12175210)。
文摘An experiment on 100 k J laser facility is performed to study the motive features and radiation properties of plasmas from different areas inside gas-filled cylindrical hohlraums.These hohlraums are designed to possess one open end and one laser entrance hole(LEH)with different diameters,which would or not result in the blocking of the LEH.An x-ray streak camera that is set at 16 degrees with respect to the hohlraum axis is applied to acquire the timeresolved x-ray images from the open end.Based on the images,we can study the evolutions of the wall plasma,corona bubble plasma and LEH plasma simultaneously through an equivalent view field of hohlraum interior.Multi-group flat response x-ray detectors are applied to measure the x-ray fluxes.In order to understand these characteristics,our two-dimensional radiation hydrodynamic code is used to simulate the experimental results.For the accuracy of reproduction,dielectronic recombination and two parameter corrections are applied in our code.Based on the comparison between experiments and simulations,we quantitatively understand the blocking process of LEH and the motion effects of other plasmas.The calibrated code is beneficial to design the gas-filled hohlraum in a nearby parameter space,especially the limit size of LEH.
文摘Correction to:Nuclear Science and Techniques(2024)35:61 https://doi.org/10.1007/s41365-024-01421-5 In this article,the figures were wrongly numbered.The Fig.7 and 8 should have been Fig.11 and 12.The Fig.9,10,11,and 12 should have been 7,8,9 and 10.The original article has been corrected.
基金supported by Science Challenge Project [No TZ2018001]Shandong Provincial Natural Science Foundation [No ZR2017BA014]+1 种基金National Natural Science Foundation of China [No91630312]the Development Program for Defense Ministry of China [No.C1520110002]
文摘The mathematical model used to describe the detonation multi-physics phenomenon is usually given by highly coupled nonlinear partial differential equations. Numerical simulation and the computer aided engineering (CAE) technique has become the third pillar of detonation research, along with theory and experiment, due to the detonation phenomenon is difficult to explain by the theoretical analysis, and the cost required to accredit the reliability of detonation products is very high, even some physical experiments of detonation are impossible. The numerical simulation technique can solve these complex problems in the real situation repeatedly and reduce the design cost and time stunningly. But the reliability of numerical simulation software and the serviceability of the computational result seriously hinders the extension, application and the self-restoration of the simulation software, restricts its independently innovational ability. This article deals with the physical modeling, numerical simulation, and software development of detonation in a unified way. Verification and validation and uncertainty quantification (V&V&UQ) is an important approach in ensuring the credibility of the modeling and simulation of detonation. V&V of detonation is based on our independently developed detonation multiphysics software-LAD2D. We propose the verification method based on mathematical theory and program function as well as availability of its program execution. Validation is executed by comparing with the experiment data. At last, we propose the future prospect of numerical simulation software and the CAE technique, and we also pay attention to the research direction of V&V&UQ.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11805019,11775032,11605013,and 11705013)
文摘Recent experiments on the implosions of 15-mm long and 2-μm thick aluminum liners having a diameter of 12.8 mm have been performed on the primary test stand(PTS) facility. The stratified structures are observed as alternating dark and light transverse stripes in the laser shadowgraph images. These striations perpendicular to the current flow are formed early in the implosion, i.e., at the stage when the bulk of the material mass was almost at rest. A two-dimensional(2 D)magnetohydrodynamics(MHD) code is employed to simulate the behavior of liner dynamics in the early phases. It is found that the striations may be produced by the electrothermal instability(ETI) that results from non-uniform Joule heating due to the characteristic relation between the resistivity and the temperature. In 2 D simulations, the stratified structures can be seen obviously in both density and temperature contours as the liner expands rapidly. By analyzing instability spectrum, the dominant wavelengths of the perturbations are 8.33 μm–20.0 μm, which agree qualitatively with the theoretical predictions.It is also interesting to show that ETI provides a significant seed to the subsequent magneto Rayleigh–Taylor(MRT)instability.
基金Project supported by the National Key Basic Research Program of China (Grant No 2006CB202200)the Program for Changjiang Scholars and Innovative Research Team in University of China (Grant No IRT0656)the National Natural Science Foundation of China (Grant No 50490270)
文摘Montmorillonite is a kind of clay mineral which often causes large deformation in soft-rock tunnel engineering and thus brings about safety problems in practice.To deal with these engineering safety problems,the physical and chemical properties of montmorillonite should be studied from basic viewpoints.We study the atomic and electronic structures of montmorillonite by using density-functional theory within the local-density approximation （LDA）.The results of calculation show that Al-O bond lengths are longer than Si-O bond lengths.It is found that both the valence band maximum （VBM） and the conduction band minimum （CBM） of montmorillonite are at point Г,and the calculated direct band gap of montmorillonite is 5.35 eV. We show that the chemical bonding between cations and oxygen anions in montmorillonite is mainly ionic,accompanied as well by a minor covalent component.It is pointed out that the VBM and CBM of montmorillonite consist of oxygen 2p and cation s states,respectively.Our calculated results help to understand the chemical and physical properties of montmorillonite,and are expected to be a guide for solving the problem of large deformation of soft-rock tunnels.
文摘In this paper, we prove the existence and uniqueness of the weak solution to the incompressible Navier-Stokes-Landau-Lifshitz equations in two-dimension with finite energy.The main techniques is the Faedo-Galerkin approximation and weak compactness theory.
基金supported by the National Natural Science Foundation of China-NSAF(No.U1630122)IAEA Coordinated Research Projects(CRPs)on Recommended Input Parameter Library(RIPL)for Fission Cross Section Calculations(No.20464)
文摘The nuclear data of n+^(240;242;244)Pu reactions for incident energy below 200 MeV are calculated and evaluated to meet the requirement in the design of an accelerator-driven subcritical system. The optical model is used to calculate the total, nonelastic, shape elastic cross sections, shape elastic scattering angular distributions, and transmission coefficients. The distorted-wave Born approximation is applied to calculate the direct inelastic scatterings to the discrete excited states. The nuclear reaction statistical models and fission theory are applied to describe neutron, proton, deuteron, triton, helium-3, alpha and c emissions, and fission consistently. The results thus obtained are compared with experimental data and the evaluated data obtained from ENDF/B-VII.1 and JENDL-4.0.
基金Project supported by the National Natural Science Foundation of China (Grant No 10604010)
文摘The electronic structures and properties of PuO2 and Pu2O3 have been studied according to the first principles by using the all-electron projector-augmented-wave （PAW） method. The local density approximation （LDA）＋U and the generalized gradient approximation （GGA）＋U formalisms have been used to account for the strong on-site Coulomb repulsion among the localized Pu 5f electrons. We discuss how the properties of PuO2 and Pu2O3 are affected by choosing the values of U and exchange-correlation potential. Also, the oxidation reaction of Pu2O3, leading to the formation of PuO2, and its dependence on U and exchange-correlation potential have been studied. Our results show that by choosing an appropriate U it is possible to consistently describe structural, electronic, and thermodynamic properties of PuO2 and Pu2O3, which enable the modelling of the redox process involving Pu-based materials.
基金Project supported by the Science and Technology Development Foundation of China Academy of Engineering Physics (Grant Nos. 2009A09027, 2009A09006, and 2011B0101028)
文摘A statistical model of dynamic spall damage due to void nucleation and growth is proposed for ductile materials under intense loading, which takes into account inertia, the elastic-plastic effect, and initial void size. To some extent, void interaction could be accounted for in this approach. Based on this model, the simulation of spall experiments for copper is performed by using the Lagrangian finite element method. The simulation results are in good agreement with experimental data for the free surface velocity profile, stress record behind copper target, final porosity, and void concentrations across the target. The influence of elastic-plastic effect upon the damage evolution is explored. The correlation between the damage evolution and the history of the stress near the spall plane is also analyzed.
基金National Postdoctoral Program for Innovative Talents of China(BX20180054).
文摘This paper is concerned with the large-time behavior of solutions to the Cauchy problem of a one-dimensional viscous radiative and reactive gas.Based on the elaborate energy estimates,we develop a new approach to derive the upper bound of the absolute temperature by avoiding the use of auxiliary functions Z(t)and W(t)introduced by Liao and Zhao[J.Differential Equations,2018,265(5):2076-2120].Our results also improve upon the results obtained in Liao and Zhao[J.Differential Equations,2018,265(5):2076-2120].
基金Supported by the National High-Tech.Inertial Confinement Fusion Committee of China and National Basic Research Project "Nonlinear Science" in China。
文摘An electron heat transport model is given for studying laser-to-x-ray conversion of inertial confinement fusion.The electron heat flux is derived based on a non-Maxwellian electron distribution,and the behavior of the heat flux is discussed.The effect of the non-Maxwellian electron distribution on inverse bremsstrahlung heating rate and electron-ion heat transfer rate are also included in the present model.The simulation results show that the effects of the non-Maxwellian electron distribution on laser absorption efficiency,laser-to-x-ray conversion efficiency and electron temperature in the coronal region are important.
基金supported by the National Natural Science Foundation of China(Grant No.51071032)
文摘Mechanical, electronic, and thermodynamic properties of zirconium carbide have been systematically studied using the ab initio calculations. The calculated equilibrium lattice parameter, bulk modulus, and elastic constants are all well consistent with the experimental data. The electronic band structure indicates that the mixture of C 2p and Zr 4d and 4p orbitals around the Fermi level makes a large covalent contribution to the chemical bonds between the C and Zr atoms. The Bader charge analysis suggests that there are about 1.71 electrons transferred from each Zr atom to its nearest C atom. Therefore, the Zr-C bond displays a mixed ionic/covalent character. The calculated phonon dispersions of ZrC are stable, coinciding with the experimental measurement. A drastic expansion in the volume of ZrC is seen with increasing temperature, while the bulk modulus decreases linearly. Based on the calculated phonon dispersion curves and within the quasi-harmonic approximation, the temperature dependence of the heat capacities is obtained, which gives a good description compared with the available experimental data.
